4-[2-azanyl-4-(3,4-dichlorophenyl)-1,3-thiazol-3-ium-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-azanyl-4-(3,4-dichlorophenyl)-1,3-thiazol-3-ium-3-yl]butane-1-sulfonic acid Openeye Name: 4-[2-amino-4-(3,4-dichlorophenyl)thiazol-3-ium-3-yl]butane-1-sulfonic acid CAS Name: 4-[2-amino-4-(3,4-dichlorophenyl)-3-thiazol-3-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-3-ium-3-yl]butane-1-sulfonic acid Traditional Name: 4-[2-amino-4-(3,4-dichlorophenyl)thiazol-3-ium-3-yl]butane-1-sulfonic acid Formula: C13H15Cl2N2O3S2+ MolecularWeight: 382.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CSC(=[N+]2CCCCS(=O)(=O)O)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CSC(=[N+]2CCCCS(=O)(=O)O)N)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O3S2/c14-10-4-3-9(7-11(10)15)12-8-21-13(16)17(12)5-1-2-6-22(18,19)20/h3-4,7-8,16H,1-2,5-6H2,(H,18,19,20)/p+1